2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 2-[[(4-fluorophenyl)methylamino]methyl]-3-(p-tolyl)-4aH-quinazolin-3-ium-4-one CAS Name: 2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 2-[[(4-fluorobenzyl)amino]methyl]-3-(p-tolyl)-4aH-quinazolin-3-ium-4-one Formula: C23H21FN3O+ MolecularWeight: 374.430743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(N=C3C=CC=CC3C2=O)CNCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(N=C3C=CC=CC3C2=O)CNCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN3O/c1-16-6-12-19(13-7-16)27-22(15-25-14-17-8-10-18(24)11-9-17)26-21-5-3-2-4-20(21)23(27)28/h2-13,20,25H,14-15H2,1H3/q+1